SCHEMBL7786246

SCHEMBL7786246

N=C(N)Nc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)O)NC(=O)c3cccc(Cl)c3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.43
PTBP1 P26599 1/20 0.43
CTSA P10619 1/20 0.43
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PGR P06401 2/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
SUCNR1 Q9BXA5 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7194908 0.92 ITGB3 (0.51) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL7786217 0.91 KMT2A (0.46) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL7790080 0.90 MEN1 (0.52) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL7785609 0.88 LMNA (0.45) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL7788754 0.87 ITGB3 (0.51) ITGB3ITGA2BMEN1KMT2APKM
SCHEMBL7781212 0.87 ITGB3 (0.48) ITGB3ITGA2BMEN1KMT2APOLB
SCHEMBL7789975 0.87 ITGB3 (0.46) ITGB3ITGA2BMEN1KMT2ALMNA
SCHEMBL7790184 0.87 MEN1 (0.48) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL7781187 0.85 GAA (0.47) ITGB3ITGA2BMEN1KMT2AL3MBTL1
SCHEMBL7785662 0.85 MAPT (0.48) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP disclosed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed